N-(2,3-dimethylphenyl)-3-[3-(4-methyl-1,3-thiazol-2-yl)propylamino]butanamide

C19H27N3OS — CID 75383091

IUPACN-(2,3-dimethylphenyl)-3-[3-(4-methyl-1,3-thiazol-2-yl)propylamino]butanamide
SMILESCc1csc(CCCNC(C)CC(=O)Nc2cccc(C)c2C)n1
InChIInChI=1S/C19H27N3OS/c1-13-7-5-8-17(16(13)4)22-18(23)11-14(2)20-10-6-9-19-21-15(3)12-24-19/h5,7-8,12,14,20H,6,9-11H2,1-4H3,(H,22,23)
InChIKeyXQZHBISIXRBLHA-UHFFFAOYSA-N
MW345.51 g/mol
LogP4.01
Rot. Bonds8

About N-(2,3-dimethylphenyl)-3-[3-(4-methyl-1,3-thiazol-2-yl)propylamino]butanamide

N-(2,3-dimethylphenyl)-3-[3-(4-methyl-1,3-thiazol-2-yl)propylamino]butanamide (PubChem CID 75383091) has the molecular formula C19H27N3OS and a molecular weight of 345.51 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-3-[3-(4-methyl-1,3-thiazol-2-yl)propylamino]butanamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-3-[3-(4-methyl-1,3-thiazol-2-yl)propylamino]butanamide
PubChem CID75383091
Molecular FormulaC19H27N3OS
Molecular Weight345.51 g/mol
Exact Mass345.19
IUPAC NameN-(2,3-dimethylphenyl)-3-[3-(4-methyl-1,3-thiazol-2-yl)propylamino]butanamide
SMILESCc1csc(CCCNC(C)CC(=O)Nc2cccc(C)c2C)n1
InChIInChI=1S/C19H27N3OS/c1-13-7-5-8-17(16(13)4)22-18(23)11-14(2)20-10-6-9-19-21-15(3)12-24-19/h5,7-8,12,14,20H,6,9-11H2,1-4H3,(H,22,23)
InChIKeyXQZHBISIXRBLHA-UHFFFAOYSA-N
XLogP4.01
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.51
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-3-[3-(4-methyl-1,3-thiazol-2-yl)propylamino]butanamide?
The IUPAC name of N-(2,3-dimethylphenyl)-3-[3-(4-methyl-1,3-thiazol-2-yl)propylamino]butanamide (CID 75383091) is N-(2,3-dimethylphenyl)-3-[3-(4-methyl-1,3-thiazol-2-yl)propylamino]butanamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-3-[3-(4-methyl-1,3-thiazol-2-yl)propylamino]butanamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-3-[3-(4-methyl-1,3-thiazol-2-yl)propylamino]butanamide is Cc1csc(CCCNC(C)CC(=O)Nc2cccc(C)c2C)n1.
What is the InChIKey of N-(2,3-dimethylphenyl)-3-[3-(4-methyl-1,3-thiazol-2-yl)propylamino]butanamide?
The InChIKey is XQZHBISIXRBLHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3OS/c1-13-7-5-8-17(16(13)4)22-18(23)11-14(2)20-10-6-9-19-21-15(3)12-24-19/h5,7-8,12,14,20H,6,9-11H2,1-4H3,(H,22,23).
What are the key properties of N-(2,3-dimethylphenyl)-3-[3-(4-methyl-1,3-thiazol-2-yl)propylamino]butanamide?
N-(2,3-dimethylphenyl)-3-[3-(4-methyl-1,3-thiazol-2-yl)propylamino]butanamide has a molecular weight of 345.51 g/mol, XLogP of 4.01, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-3-[3-(4-methyl-1,3-thiazol-2-yl)propylamino]butanamide is sourced from PubChem (CID 75383091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).